Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL98803 | 0.87 | POLB (0.50) | LTB4RHPGDAKR1C3AKR1C2POLB | |
| SCHEMBL101142 | 0.86 | AKR1C3 (0.53) | LTB4RAKR1C3AKR1C2POLBMAPT | |
| SCHEMBL98766 | 0.85 | LTB4R (0.52) | LTB4RSMN1; SMN2HPGDPOLBALDH1A1 | |
| SCHEMBL100422 | 0.84 | HPGD (0.51) | LTB4RSMN1; SMN2HPGDAKR1C3AKR1C2 | |
| SCHEMBL99091 | 0.84 | RAB9A (0.51) | LTB4RSMN1; SMN2HPGDALDH1A1MAPT | |
| SCHEMBL99701 | 0.83 | AKR1C3 (0.53) | SMN1; SMN2HPGDAKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL99615 | 0.83 | RAB9A (0.55) | SMN1; SMN2AKR1C3AKR1C2POLBNPC1 | |
| SCHEMBL663695 | 0.82 | CHRM3 (0.56) | LTB4RSMN1; SMN2 | |
| SCHEMBL98704 | 0.82 | AKR1C3 (0.51) | SMN1; SMN2AKR1C3AKR1C2MAPTNPC1 | |
| Iodide SCHEMBL100421 | 0.81 | LTB4R (0.48) | LTB4RSMN1; SMN2HPGDAKR1C3AKR1C2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2426121-A1 | QUATERNARY AMMONIUM SALT COMPOUND | Teijin Pharma Limited (JP) | 2012-03-07 | — | — | EP | claimed |